(2R)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C56H72Cl2F2N14O7Si2 — CID 158642393

About (2R)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

(2R)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 158642393) has the molecular formula C56H72Cl2F2N14O7Si2 and a molecular weight of 1218.36 g/mol. Its IUPAC name is (2R)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

• Compound Name: (2R)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
• PubChem CID: 158642393
• Molecular Formula: C56H72Cl2F2N14O7Si2
• Molecular Weight: 1218.36 g/mol
• Exact Mass: 1216.46
• IUPAC Name: (2R)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
• SMILES: C[C@@H](N)C(=O)N1CC[C@H](F)C1.C[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12)C(=O)N1CC[C@H](F)C1.Cn1nc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c2ccc(Cl)cc21
• InChI: InChI=1S/C28H35ClFN7O3Si.C21H24ClN5O3Si.C7H13FN2O/c1-17(28(39)36-9-8-19(30)14-36)32-27(38)21-15-37(16-40-10-11-41(3,4)5)26-25(21)33-22(13-31-26)24-20-7-6-18(29)12-23(20)35(2)34-24;1-26-17-9-13(22)5-6-14(17)18(25-26)16-10-23-20-19(24-16)15(21(28)29)11-27(20)12-30-7-8-31(2,3)4;1-5(9)7(11)10-3-2-6(8)4-10/h6-7,12-13,15,17,19H,8-11,14,16H2,1-5H3,(H,32,38);5-6,9-11H,7-8,12H2,1-4H3,(H,28,29);5-6H,2-4,9H2,1H3/t17-,19+;;5-,6+/m1.1/s1
• InChIKey: IANYKTSWJTYRCZ-GUSWAAJMSA-N
• XLogP: 9.19
• TPSA: 248.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1218.36
LogP ≤ 5	9.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The IUPAC name of (2R)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 158642393) is (2R)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

What is the SMILES notation for (2R)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The canonical SMILES for (2R)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is C[C@@H](N)C(=O)N1CC[C@H](F)C1.C[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12)C(=O)N1CC[C@H](F)C1.Cn1nc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c2ccc(Cl)cc21.

What is the InChIKey of (2R)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The InChIKey is IANYKTSWJTYRCZ-GUSWAAJMSA-N. The full InChI is InChI=1S/C28H35ClFN7O3Si.C21H24ClN5O3Si.C7H13FN2O/c1-17(28(39)36-9-8-19(30)14-36)32-27(38)21-15-37(16-40-10-11-41(3,4)5)26-25(21)33-22(13-31-26)24-20-7-6-18(29)12-23(20)35(2)34-24;1-26-17-9-13(22)5-6-14(17)18(25-26)16-10-23-20-19(24-16)15(21(28)29)11-27(20)12-30-7-8-31(2,3)4;1-5(9)7(11)10-3-2-6(8)4-10/h6-7,12-13,15,17,19H,8-11,14,16H2,1-5H3,(H,32,38);5-6,9-11H,7-8,12H2,1-4H3,(H,28,29);5-6H,2-4,9H2,1H3/t17-,19+;;5-,6+/m1.1/s1.

What are the key properties of (2R)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

(2R)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 1218.36 g/mol, XLogP of 9.19, 17 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 158642393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).